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Search term: MZSPRYZVGAGGBE (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N-[1-(4-Iodo-2,5-dimethoxyphenyl)-2-propanyl]-1-hexanamine | C17H28INO2

N-[1-(4-Iodo-2,5-dimethoxyphenyl)-2-propanyl]-1-hexanamine

  • Molecular FormulaC17H28INO2
  • Average mass405.314 Da
  • Monoisotopic mass405.116455 Da
  • ChemSpider ID23110838

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Benzeneethanamine, N-hexyl-4-iodo-2,5-dimethoxy-α-methyl- [ACD/Index Name]
N-[1-(4-Iod-2,5-dimethoxyphenyl)-2-propanyl]-1-hexanamin [German] [ACD/IUPAC Name]
N-[1-(4-Iodo-2,5-dimethoxyphenyl)-2-propanyl]-1-hexanamine [ACD/IUPAC Name]
N-[1-(4-Iodo-2,5-diméthoxyphényl)-2-propanyl]-1-hexanamine [French] [ACD/IUPAC Name]
Hexyl-[2-(4-iodo-2,5-dimethoxy-phenyl)-1-methyl-ethyl]-amine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL273293/
N-[1-(4-iodo-2,5-dimethoxyphenyl)propan-2-yl]hexan-1-amine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 432.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.8±3.0 kJ/mol
Flash Point: 215.4±28.7 °C
Index of Refraction: 1.531
Molar Refractivity: 98.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.41
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 6.14
ACD/KOC (pH 5.5): 16.88
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 17.60
ACD/KOC (pH 7.4): 48.44
Polar Surface Area: 30 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 317.1±3.0 cm3

Click to predict properties on the Chemicalize site


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